Geometry & MOs

Info

ID:	61453
PubChem CID:	26709512
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	447.228382
ΔH_f, kcal/mol:	-86.12
Dipole, Da:	5.69
IP(EA), eV:	-8.77(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)CN3C(=O)[C@@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5

DOS

IR

Vibrations